(2,6-dimethylphenyl) 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (2,6-dimethylphenyl) 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (2,6-dimethylphenyl) 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (2,6-dimethylphenyl) ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C17H19NO3S/c1-12-5-3-6-13(2)16(12)21-15(19)7-4-9-18-17(20)14-8-10-22-11-14/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,18,20)